SCHEMBL6052099

SCHEMBL6052099

Cn1nc(CCOc2ccc(CC3NC(=O)SC3=O)cc2)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
PPARG P37231 13/20 0.38
PPARA Q07869 6/20 0.37
FFAR1 O14842 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 2/20 0.36
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6052086 0.82 PPARG (0.57) HRH3PPARGPPARAFFAR1CYP3A4
SCHEMBL8908572 0.78 PPARG (0.42) HRH3PPARGPPARACYP2C9CYP3A4
SCHEMBL6052101 0.78 PPARG (0.61) PPARGPPARACYP2C9CYP3A4KCNH2
SCHEMBL9326656 0.77 HRH3 (0.48) HRH3PPARGPPARAFFAR1MEN1
SCHEMBL8196247 0.76 PPARG (0.42) HRH3PPARGPPARAFFAR1CYP3A4
SCHEMBL9311838 0.75 FFAR1 (0.43) PPARGFFAR1CYP3A4
SCHEMBL9827684 0.75 PPARG (0.38) HRH3PPARGPPARAFFAR1CYP2C9
SCHEMBL1220487 0.74 PPARG (0.47) HRH3PPARGPPARAFFAR1CYP2C9
SCHEMBL8791799 0.74 HPGD (0.54) HRH3PPARGFFAR1CYP2C9CYP3A4
SCHEMBL5810607 0.73 PPARG (0.40) HRH3PPARGPPARAFFAR1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047423-B1 NOVEL APOPTOSIS INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2006-05-10 EP disclosed
US-20020086883-A1 Compound, such as pioglitazone, having an insulin sensitivity enhancing activity for the prophylaxis or treatment of a disease mediated by promotion of apoptosis, such as neurodegenerative disease TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-07-04 US disclosed
US-6399639-B1 ADMINISTERING A 2,4-THIADIAZOLIDINEDIONE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-04 US disclosed
US-6087384-A TREATING PROPHYLAXIS AND TREATMENT OF A DISEASE ASSOCIATE WITH DEATH OF CELLS CAUSED BY VIRAL DISEASES, MYELODYSPLASIS, NEURODEGENERATIVE, ISCHEMIC AND HEPATIC DISEASES WITH A COMPOUND HAVING AN INSULIN SENSITIVITY ENHANCING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020086883-A1 Compound, such as pioglitazone, having an insulin sensitivity enhancing activity for the prophylaxis or treatment of a disease mediated by promotion of apoptosis, such as neurodegenerative disease IRS1, IAPP, AIFM1 HRH3 1183/4885PPARG 51/4885PPARA 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.